Molecule

ID:7589

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClF₃N₂O
Molecular Mass
274.6263496
Exact Mass
274.01207516
Charge
0
InChI
InChI=1S/C11H6ClF3N2O/c12-10(18)8-6-16-17(9(8)11(13,14)15)7-4-2-1-3-5-7/h1-6H
InChIKey
FSZPLNSWCMTQRJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cnn(c1C(F)(F)F)c1ccccc1
Isomeric Smiles
c1cccc(c1)n1c(c(cn1)C(=O)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0478249
LogD (pH = 7.4)
3.0478265
Log P
3.0478265
Molar Refractivity
61.3856
Polarizability
22.407259
Polar Surface Area
34.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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